Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.

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856 – 870 of 159,124 results

856

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4-Chlorobenzylamine, 97+%

CAS: 104-86-9 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.598 MDL Number: MFCD00008121 InChI Key: YMVFJGSXZNNUDW-UHFFFAOYSA-N Synonym: 4-chlorobenzylamine,4-chlorophenyl methanamine,p-chlorobenzylamine,benzenemethanamine, 4-chloro,1-4-chlorophenyl methanamine,4-chloro-benzylamine,benzylamine, p-chloro,4-chlorophenyl methylamine,para-chlorobenzylamine,chembl13218 PubChem CID: 66036 IUPAC Name: (4-chlorophenyl)methanamine SMILES: C1=CC(=CC=C1CN)Cl

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Specifications

PubChem CID	66036
CAS	104-86-9
Molecular Weight (g/mol)	141.598
MDL Number	MFCD00008121
SMILES	C1=CC(=CC=C1CN)Cl
Synonym	4-chlorobenzylamine,4-chlorophenyl methanamine,p-chlorobenzylamine,benzenemethanamine, 4-chloro,1-4-chlorophenyl methanamine,4-chloro-benzylamine,benzylamine, p-chloro,4-chlorophenyl methylamine,para-chlorobenzylamine,chembl13218
IUPAC Name	(4-chlorophenyl)methanamine
InChI Key	YMVFJGSXZNNUDW-UHFFFAOYSA-N
Molecular Formula	C7H8ClN

857

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(Methoxycarbonylmethylene)triphenylphosphorane, 98%

CAS: 2605-67-6 Molecular Formula: C21H19O2P Molecular Weight (g/mol): 334.36 MDL Number: MFCD00008455 InChI Key: NTNUDYROPUKXNA-UHFFFAOYSA-N Synonym: methyl triphenylphosphoranylidene acetate,carbomethoxymethylene triphenylphosphorane,methyl 2-triphenylphosphoranylidene acetate,acetic acid, triphenylphosphoranylidene-, methyl ester,methyl triphenylphosphoranylideneacetate,triphenylphosphoranylidene acetic acid methyl ester,triphenyl carbomethoxymethylene phosphorane,methoxycarbonylmethylene triphenylphosphorane,acetic acid, 2-triphenylphosphoranylidene-, methyl ester PubChem CID: 17453 IUPAC Name: methyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate SMILES: COC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	17453
CAS	2605-67-6
Molecular Weight (g/mol)	334.36
MDL Number	MFCD00008455
SMILES	COC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	methyl triphenylphosphoranylidene acetate,carbomethoxymethylene triphenylphosphorane,methyl 2-triphenylphosphoranylidene acetate,acetic acid, triphenylphosphoranylidene-, methyl ester,methyl triphenylphosphoranylideneacetate,triphenylphosphoranylidene acetic acid methyl ester,triphenyl carbomethoxymethylene phosphorane,methoxycarbonylmethylene triphenylphosphorane,acetic acid, 2-triphenylphosphoranylidene-, methyl ester
IUPAC Name	methyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate
InChI Key	NTNUDYROPUKXNA-UHFFFAOYSA-N
Molecular Formula	C21H19O2P

858

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2,4-Difluorophenol, 98+%

CAS: 367-27-1 Molecular Formula: C6H4F2O Molecular Weight (g/mol): 130.09 MDL Number: MFCD00009715 InChI Key: NVWVWEWVLBKPSM-UHFFFAOYSA-N PubChem CID: 123051 IUPAC Name: 2,4-difluorophenol SMILES: OC1=CC=C(F)C=C1F

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Specifications

PubChem CID	123051
CAS	367-27-1
Molecular Weight (g/mol)	130.09
MDL Number	MFCD00009715
SMILES	OC1=CC=C(F)C=C1F
IUPAC Name	2,4-difluorophenol
InChI Key	NVWVWEWVLBKPSM-UHFFFAOYSA-N
Molecular Formula	C6H4F2O

859

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Benzyltrimethylammonium hydroxide, 40% w/w in methanol

CAS: 100-85-6 Molecular Formula: C10H17NO Molecular Weight (g/mol): 167.252 MDL Number: MFCD00008281 InChI Key: NDKBVBUGCNGSJJ-UHFFFAOYSA-M Synonym: benzyltrimethylammonium hydroxide,triton b,n,n,n-trimethyl-1-phenylmethanaminium hydroxide,trimethylbenzylammonium hydroxide,benzyl trimethylammonium hydroxide,benzyl trimethyl ammonium hydroxide,trimethyl benzylammonium hydroxide,sumquat 2311,benzyltrimetylammonium hydroxide,n,n,n-trimethylbenzenemethanaminium hydroxide PubChem CID: 66854 IUPAC Name: benzyl(trimethyl)azanium;hydroxide SMILES: C[N+](C)(C)CC1=CC=CC=C1.[OH-]

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Specifications

PubChem CID	66854
CAS	100-85-6
Molecular Weight (g/mol)	167.252
MDL Number	MFCD00008281
SMILES	C[N+](C)(C)CC1=CC=CC=C1.[OH-]
Synonym	benzyltrimethylammonium hydroxide,triton b,n,n,n-trimethyl-1-phenylmethanaminium hydroxide,trimethylbenzylammonium hydroxide,benzyl trimethylammonium hydroxide,benzyl trimethyl ammonium hydroxide,trimethyl benzylammonium hydroxide,sumquat 2311,benzyltrimetylammonium hydroxide,n,n,n-trimethylbenzenemethanaminium hydroxide
IUPAC Name	benzyl(trimethyl)azanium;hydroxide
InChI Key	NDKBVBUGCNGSJJ-UHFFFAOYSA-M
Molecular Formula	C10H17NO

860

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2-Chloro-4-fluorobenzoic acid, 98%

CAS: 2252-51-9 Molecular Formula: C7H4ClFO2 Molecular Weight (g/mol): 174.555 MDL Number: MFCD00010615 InChI Key: GRPWQLDSGNZEQE-UHFFFAOYSA-N Synonym: benzoic acid, 2-chloro-4-fluoro,2-chloro-4-fluoro-benzoic acid,2-chloro-4-fluor obenzoic acid,pubchem1370,acmc-209fx5,ksc207e4n,rarechem al bo 0405,2-chloro 4-fluoro benzoic acid,2-chloro-4-fluoro benzoic acid,4-fluoro-2-chloro-benzoic acid PubChem CID: 75259 IUPAC Name: 2-chloro-4-fluorobenzoic acid SMILES: C1=CC(=C(C=C1F)Cl)C(=O)O

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Specifications

PubChem CID	75259
CAS	2252-51-9
Molecular Weight (g/mol)	174.555
MDL Number	MFCD00010615
SMILES	C1=CC(=C(C=C1F)Cl)C(=O)O
Synonym	benzoic acid, 2-chloro-4-fluoro,2-chloro-4-fluoro-benzoic acid,2-chloro-4-fluor obenzoic acid,pubchem1370,acmc-209fx5,ksc207e4n,rarechem al bo 0405,2-chloro 4-fluoro benzoic acid,2-chloro-4-fluoro benzoic acid,4-fluoro-2-chloro-benzoic acid
IUPAC Name	2-chloro-4-fluorobenzoic acid
InChI Key	GRPWQLDSGNZEQE-UHFFFAOYSA-N
Molecular Formula	C7H4ClFO2

861

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2-Amino-6-methylbenzoic acid, 98%

CAS: 4389-50-8 Molecular Formula: C8H8NO2 Molecular Weight (g/mol): 150.16 MDL Number: MFCD00007809 InChI Key: XHYVBIXKORFHFM-UHFFFAOYSA-M Synonym: 6-methylanthranilic acid,6-amino-o-toluic acid,benzoic acid, 2-amino-6-methyl,2-amino-6-methyl-benzoic acid,6-methylanthranilate,pubchem4957,acmc-209jvt,6-methyl anthranilic acid,3-amino-2-carboxytoluene,2-carboxy-3-methylaniline PubChem CID: 151210 IUPAC Name: 2-amino-6-methylbenzoic acid SMILES: CC1=CC=CC(N)=C1C([O-])=O

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Specifications

PubChem CID	151210
CAS	4389-50-8
Molecular Weight (g/mol)	150.16
MDL Number	MFCD00007809
SMILES	CC1=CC=CC(N)=C1C([O-])=O
Synonym	6-methylanthranilic acid,6-amino-o-toluic acid,benzoic acid, 2-amino-6-methyl,2-amino-6-methyl-benzoic acid,6-methylanthranilate,pubchem4957,acmc-209jvt,6-methyl anthranilic acid,3-amino-2-carboxytoluene,2-carboxy-3-methylaniline
IUPAC Name	2-amino-6-methylbenzoic acid
InChI Key	XHYVBIXKORFHFM-UHFFFAOYSA-M
Molecular Formula	C8H8NO2

862

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3-Bromo-4-fluorobenzaldehyde, 98%

CAS: 77771-02-9 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD00042186 InChI Key: FAHZIKXYYRGSHF-UHFFFAOYSA-N Synonym: 4-fluoro-3-bromobenzaldehyde,benzaldehyde, 3-bromo-4-fluoro,3-bromo-4-fluoro-benzaldehyde,3-bromo-4-fluoro benzaldehyde,pubchem2878,acmc-209pbm,3-bromo4fluorobenzaldehyde,3-bromo-4fluorobenzaldehyde,3-bromo4-fluorobenzaldehyde,3bromo-4-fluorobenzaldehyde PubChem CID: 173604 IUPAC Name: 3-bromo-4-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)Br)F

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Specifications

PubChem CID	173604
CAS	77771-02-9
Molecular Weight (g/mol)	203.01
MDL Number	MFCD00042186
SMILES	C1=CC(=C(C=C1C=O)Br)F
Synonym	4-fluoro-3-bromobenzaldehyde,benzaldehyde, 3-bromo-4-fluoro,3-bromo-4-fluoro-benzaldehyde,3-bromo-4-fluoro benzaldehyde,pubchem2878,acmc-209pbm,3-bromo4fluorobenzaldehyde,3-bromo-4fluorobenzaldehyde,3-bromo4-fluorobenzaldehyde,3bromo-4-fluorobenzaldehyde
IUPAC Name	3-bromo-4-fluorobenzaldehyde
InChI Key	FAHZIKXYYRGSHF-UHFFFAOYSA-N
Molecular Formula	C7H4BrFO

863

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9-Anthracenemethanol, 97%

CAS: 1468-95-7 Molecular Formula: C15H12O Molecular Weight (g/mol): 208.26 MDL Number: MFCD00001264 InChI Key: JCJNNHDZTLRSGN-UHFFFAOYSA-N Synonym: 9-anthracenemethanol,9-hydroxymethylanthracene,9-anthrylcarbinol,9-methylolanthracene,9-anthrylmethanol,9-hydroxymethylantracene,9-anthracene methanol,9-hydroxymethyl anthracene,anthracene-9-carbinol,ccris 7297 PubChem CID: 73848 IUPAC Name: anthracen-9-ylmethanol SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CO

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Specifications

PubChem CID	73848
CAS	1468-95-7
Molecular Weight (g/mol)	208.26
MDL Number	MFCD00001264
SMILES	C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CO
Synonym	9-anthracenemethanol,9-hydroxymethylanthracene,9-anthrylcarbinol,9-methylolanthracene,9-anthrylmethanol,9-hydroxymethylantracene,9-anthracene methanol,9-hydroxymethyl anthracene,anthracene-9-carbinol,ccris 7297
IUPAC Name	anthracen-9-ylmethanol
InChI Key	JCJNNHDZTLRSGN-UHFFFAOYSA-N
Molecular Formula	C15H12O

864

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2-Methoxyphenylacetic acid, 99%

CAS: 93-25-4 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00004321 InChI Key: IVEWTCACRDEAOB-UHFFFAOYSA-N Synonym: 2-methoxyphenylacetic acid,benzeneacetic acid, 2-methoxy,2-2-methoxyphenyl acetic acid,2-methoxyphenylaceticacid,o-methoxyphenyl acetic acid,acetic acid, o-methoxyphenyl,2-methoxyphenyl acetic acid,o-methoxyphenylacetic acid,acmc-209rku,2-carboxymethyl anisole PubChem CID: 7134 IUPAC Name: 2-(2-methoxyphenyl)acetic acid SMILES: COC1=CC=CC=C1CC(O)=O

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Specifications

PubChem CID	7134
CAS	93-25-4
Molecular Weight (g/mol)	166.18
MDL Number	MFCD00004321
SMILES	COC1=CC=CC=C1CC(O)=O
Synonym	2-methoxyphenylacetic acid,benzeneacetic acid, 2-methoxy,2-2-methoxyphenyl acetic acid,2-methoxyphenylaceticacid,o-methoxyphenyl acetic acid,acetic acid, o-methoxyphenyl,2-methoxyphenyl acetic acid,o-methoxyphenylacetic acid,acmc-209rku,2-carboxymethyl anisole
IUPAC Name	2-(2-methoxyphenyl)acetic acid
InChI Key	IVEWTCACRDEAOB-UHFFFAOYSA-N
Molecular Formula	C9H10O3

865

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(4-Bromobenzyl)triphenylphosphonium bromide, 98%

CAS: 51044-13-4 Molecular Formula: C25H21Br2P Molecular Weight (g/mol): 512.23 MDL Number: MFCD00051922 InChI Key: FQJYKXVQABPCRA-UHFFFAOYSA-M Synonym: 4-bromobenzyl triphenylphosphonium bromide,phosphonium, 4-bromophenyl methyl triphenyl-, bromide,4-bromophenyl methyl triphenylphosphanium bromide,acmc-20apnl,4-bromobenzyltriphenylphosphoniumbromide,4-bromobenzyl triphenylphosphoniumbromide,4-bromobenzyl triphenylphosphonium-bromide,4-bromobenzyl triphenyl-phosphonium bromide,4-bromobenzyl triphenyl phosphonium bromide PubChem CID: 2724858 IUPAC Name: (4-bromophenyl)methyl-triphenylphosphanium;bromide SMILES: [Br-].BrC1=CC=C(C[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1

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Specifications

PubChem CID	2724858
CAS	51044-13-4
Molecular Weight (g/mol)	512.23
MDL Number	MFCD00051922
SMILES	[Br-].BrC1=CC=C(C[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1
Synonym	4-bromobenzyl triphenylphosphonium bromide,phosphonium, 4-bromophenyl methyl triphenyl-, bromide,4-bromophenyl methyl triphenylphosphanium bromide,acmc-20apnl,4-bromobenzyltriphenylphosphoniumbromide,4-bromobenzyl triphenylphosphoniumbromide,4-bromobenzyl triphenylphosphonium-bromide,4-bromobenzyl triphenyl-phosphonium bromide,4-bromobenzyl triphenyl phosphonium bromide
IUPAC Name	(4-bromophenyl)methyl-triphenylphosphanium;bromide
InChI Key	FQJYKXVQABPCRA-UHFFFAOYSA-M
Molecular Formula	C25H21Br2P

866

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2,6-Dimethyl-4-nitrophenol, 98%

CAS: 2423-71-4 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00007339 InChI Key: FNORUNUDZNWQFF-UHFFFAOYSA-N PubChem CID: 17030 IUPAC Name: 2,6-dimethyl-4-nitrophenol SMILES: CC1=CC(=CC(=C1O)C)[N+](=O)[O-]

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Specifications

PubChem CID	17030
CAS	2423-71-4
Molecular Weight (g/mol)	167.164
MDL Number	MFCD00007339
SMILES	CC1=CC(=CC(=C1O)C)[N+](=O)[O-]
IUPAC Name	2,6-dimethyl-4-nitrophenol
InChI Key	FNORUNUDZNWQFF-UHFFFAOYSA-N
Molecular Formula	C8H9NO3

867

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4-Fluoro-3-methylaniline, 97%

CAS: 452-69-7 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.15 MDL Number: MFCD00025294 InChI Key: NYMDPDNETOLVBS-UHFFFAOYSA-N Synonym: 2-fluoro-5-aminotoluene,4-fluoro-m-toluidine,5-amino-2-fluorotoluene,4-fluoro-3-methylbenzenamine,4-fluoro-3-methylphenylamine,benzenamine, 4-fluoro-3-methyl,4-fluoro-3-methyl aniline,4-fluoro-3-methyl-aniline,4-fluor-3-methylanilin,pubchem1513 PubChem CID: 67981 IUPAC Name: 4-fluoro-3-methylaniline SMILES: CC1=CC(N)=CC=C1F

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Specifications

PubChem CID	67981
CAS	452-69-7
Molecular Weight (g/mol)	125.15
MDL Number	MFCD00025294
SMILES	CC1=CC(N)=CC=C1F
Synonym	2-fluoro-5-aminotoluene,4-fluoro-m-toluidine,5-amino-2-fluorotoluene,4-fluoro-3-methylbenzenamine,4-fluoro-3-methylphenylamine,benzenamine, 4-fluoro-3-methyl,4-fluoro-3-methyl aniline,4-fluoro-3-methyl-aniline,4-fluor-3-methylanilin,pubchem1513
IUPAC Name	4-fluoro-3-methylaniline
InChI Key	NYMDPDNETOLVBS-UHFFFAOYSA-N
Molecular Formula	C7H8FN

868

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Pentafluorobenzaldehyde, 98%

CAS: 653-37-2 Molecular Formula: C7HF5O Molecular Weight (g/mol): 196.076 MDL Number: MFCD00003303 InChI Key: QJXCFMJTJYCLFG-UHFFFAOYSA-N Synonym: pentafluorobenzaldehyde,perfluorobenzaldehyde,benzaldehyde, pentafluoro,benzaldehyde, 2,3,4,5,6-pentafluoro,unii-s9yie3jz4k,pentafluor-benzaldehyd,s9yie3jz4k,pubchem4253,pentafluoro-benzaldehyde,acmc-209nqh PubChem CID: 69558 IUPAC Name: 2,3,4,5,6-pentafluorobenzaldehyde SMILES: C(=O)C1=C(C(=C(C(=C1F)F)F)F)F

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Specifications

PubChem CID	69558
CAS	653-37-2
Molecular Weight (g/mol)	196.076
MDL Number	MFCD00003303
SMILES	C(=O)C1=C(C(=C(C(=C1F)F)F)F)F
Synonym	pentafluorobenzaldehyde,perfluorobenzaldehyde,benzaldehyde, pentafluoro,benzaldehyde, 2,3,4,5,6-pentafluoro,unii-s9yie3jz4k,pentafluor-benzaldehyd,s9yie3jz4k,pubchem4253,pentafluoro-benzaldehyde,acmc-209nqh
IUPAC Name	2,3,4,5,6-pentafluorobenzaldehyde
InChI Key	QJXCFMJTJYCLFG-UHFFFAOYSA-N
Molecular Formula	C7HF5O

869

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3,5-Difluoroanisole, 97%, Thermo Scientific Chemicals

CAS: 93343-10-3 Molecular Formula: C7H6F2O Molecular Weight (g/mol): 144.12 MDL Number: MFCD00042560 InChI Key: OTGQPYSISUUHAF-UHFFFAOYSA-N Synonym: 3,5-difluoroanisole,3,5-difluoro-1-methoxybenzene,benzene, 1,3-difluoro-5-methoxy,1,3-difluoro-5-methoxy-benzene,3,5-difluoro anisole,3,5-difluoroanisol,3.5-difluoroanisole,pubchem1967,3,5-difluoroanisole;,3,5,-difluoroanisole; PubChem CID: 2724518 IUPAC Name: 1,3-difluoro-5-methoxybenzene SMILES: COC1=CC(F)=CC(F)=C1

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Specifications

PubChem CID	2724518
CAS	93343-10-3
Molecular Weight (g/mol)	144.12
MDL Number	MFCD00042560
SMILES	COC1=CC(F)=CC(F)=C1
Synonym	3,5-difluoroanisole,3,5-difluoro-1-methoxybenzene,benzene, 1,3-difluoro-5-methoxy,1,3-difluoro-5-methoxy-benzene,3,5-difluoro anisole,3,5-difluoroanisol,3.5-difluoroanisole,pubchem1967,3,5-difluoroanisole;,3,5,-difluoroanisole;
IUPAC Name	1,3-difluoro-5-methoxybenzene
InChI Key	OTGQPYSISUUHAF-UHFFFAOYSA-N
Molecular Formula	C7H6F2O

870

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1-Chloro-2,4-difluorobenzene, 98%

CAS: 1435-44-5 Molecular Formula: C6H3ClF2 Molecular Weight (g/mol): 148.537 MDL Number: MFCD00042569 InChI Key: AJCSNHQKXUSMMY-UHFFFAOYSA-N PubChem CID: 137001 IUPAC Name: 1-chloro-2,4-difluorobenzene SMILES: C1=CC(=C(C=C1F)F)Cl

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Specifications

PubChem CID	137001
CAS	1435-44-5
Molecular Weight (g/mol)	148.537
MDL Number	MFCD00042569
SMILES	C1=CC(=C(C=C1F)F)Cl
IUPAC Name	1-chloro-2,4-difluorobenzene
InChI Key	AJCSNHQKXUSMMY-UHFFFAOYSA-N
Molecular Formula	C6H3ClF2

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